SCHEMBL6835964

SCHEMBL6835964

Cc1ccccc1C(=O)OC(C(=O)Cl)C(OC(=O)c1ccccc1C)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PLK1 P53350 1/20 0.40
PLK2 Q9NYY3 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL697167 0.84 TSHR (0.58) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4179476 0.84 TSHR (0.58) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL31152075 0.84 TSHR (0.58) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4198767 0.84 TSHR (0.58) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6835364 0.82 SMN1; SMN2 (0.46) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
Water SCHEMBL9888402 0.82 TP53 (0.56) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL28277740 0.81 NPC1 (0.50) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL31231255 0.80 SMN1; SMN2 (0.50) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1786549 0.79 SMN1; SMN2 (0.52) UTS2RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29290201 0.79 ADRB2 (0.49) UTS2RSMN1; SMN2KDM4ENPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6752929-B1 SEPARATING THE CIS AND THE TRANS DIASTEREOMERS OF THE 2',3'-DIDEOXY-5-FLUORO-3'THIOCYTADINE DERIVATIVE BY SIMULATED MOVING BED CHROMATOGRAPHY TO OBTAIN AT LEAST ONE OF THE DIASTEREOMERS JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2004-06-22 US disclosed
US-6541631-B1 Forming a solution containing first and second enantiomer of cis-(5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathi olan-2-yl)methyl butanoate, separating first and second enantiomer by simulated moving bed chromatography PHARMA-ECO LABORATORIES, INC. 2003-04-01 US disclosed
EP-1180104-B1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF JOHNSON MATTHEY PHARMACEUTICAL (US) 2003-03-26 EP disclosed
EP-1180104-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF Pharm-Eco Laboratories Inc. (US) 2002-02-20 EP disclosed
WO-2000071539-A1 METHODS OF SEPARATING FTC ISOMERS AND DERIVATIVES THEREOF PHARM-ECO LABORATORIES INC. (US) 2000-11-30 WO disclosed